JuLib | Articles & more - {"Theory, modelling and simulation"}

“...Theory, modelling and simulation...”
Get full text Get full text Published on 2020-07-16. Available in OpenAccess from 2021-07-16. Published on 2020-07-16. Available in OpenAccess from 2021-07-16.

6

Journal Article

The balancing act of NEET proteins: Iron, ROS, calcium and metabolism

Nechushtai, Rachel
2020

Biochimica et biophysica acta / Molecular cell research Molecular cell research, 1867 (2020) 11, S. 118805 -

“...Theory, modelling and simulation...”
Published on 2020-08-01. Available in OpenAccess from 2021-08-01.

7

Journal Article

Impact of Cholesterol on the Stability of Monomeric and Dimeric Forms of the Translocator Protein TSPO: A Molecular Simulation Study

Si Chaib, Zeineb
2020

Molecules, 25 (2020) 18, S. 4299 -

“...Theory, modelling and simulation...”
Get full text Get full text OpenAccess OpenAccess

8

Journal Article

Ligand Pose Predictions for Human G Protein-Coupled Receptors: Insights from the Amber-based Hybrid Molecular Mechanics/Coarse-Grained Approach

Schneider, Jakob
2020

Journal of chemical information and modeling, 60 (2020) 10, S. 5103–5116

“...Theory, modelling and simulation...”
Get full text Published on 2020-07-31. Available in OpenAccess from 2021-07-31. Restricted Published on 2020-07-31. Available in OpenAccess from 2021-07-31. Restricted

9

Journal Article

Aralar Sequesters GABA into Hyperactive Mitochondria, Causing Social Behavior Deficits

Kanellopoulos, Alexandros K.
2020

Cell, 180 (2020) 6, S. 1178 - 1197.e20

“...Theory, modelling and simulation...”
Published on 2020-03-19. Available in OpenAccess from 2021-03-19.

10

Journal Article

Modeling the allosteric modulation on a G-Protein Coupled Receptor: the case of M2 muscarinic Acetylcholine Receptor in complex with LY211960

Maggi, L.
2020

Scientific reports, 10 (2020) 1, S. 3037

“...Theory, modelling and simulation...”
Get full text Get full text OpenAccess OpenAccess

11

Journal Article

MiMiC: Multiscale Modeling in Computational Chemistry

Bolnykh, Viacheslav
2020

Frontiers in molecular biosciences, 7 (2020) S. 45

“...Theory, modelling and simulation...”
OpenAccess

12

Journal Article

CGMD Platform: Integrated Web Servers for the Preparation, Running, and Analysis of Coarse-Grained Molecular Dynamics Simulations

Marchetto, Alessandro
2020

Molecules, 25 (2020) 24, S. 5934 -

“...Theory, modelling and simulation...”
OpenAccess

13

Journal Article

A computational strategy to understand structure-activity relationship of 1,3-disubstituted imidazole [1,5-α] pyrazine derivatives described as ATP competitive inhibitors of the IG...

Guaitoli, Valentina
2020

Journal of molecular modeling, 26 (2020) 8, S. 222

“...Theory, modelling and simulation...”

14

Journal Article

Molecular Basis of CLC Antiporter Inhibition by Fluoride

Chiariello, Maria Gabriella
2020

Journal of the American Chemical Society, 142 (2020) 16, S. 7254 - 7258

“...Theory, modelling and simulation...”
Published on 2020-04-01. Available in OpenAccess from 2021-04-01. Published on 2020-04-01. Available in OpenAccess from 2021-04-01.